4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-thienylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-thiophenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-4-(piperonylamino)-N-(3-thenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC5=CSC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC5=CSC=C5

InChI

InChI=1S/C21H18N4O3S2/c1-12-17-19(22-7-13-2-3-15-16(6-13)28-11-27-15)24-10-25-21(17)30-18(12)20(26)23-8-14-4-5-29-9-14/h2-6,9-10H,7-8,11H2,1H3,(H,23,26)(H,22,24,25)